4-chloro-6-ethoxy-3-nitroquinoline

C11H9ClN2O3 — CID 102614031

IUPAC4-chloro-6-ethoxy-3-nitroquinoline
SMILESCCOc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H9ClN2O3/c1-2-17-7-3-4-9-8(5-7)11(12)10(6-13-9)14(15)16/h3-6H,2H2,1H3
InChIKeyLXTAGTFVCSNWFI-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.20
Rot. Bonds3

About 4-chloro-6-ethoxy-3-nitroquinoline

4-chloro-6-ethoxy-3-nitroquinoline (PubChem CID 102614031) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-3-nitroquinoline.

Molecular Properties

Compound Name4-chloro-6-ethoxy-3-nitroquinoline
PubChem CID102614031
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name4-chloro-6-ethoxy-3-nitroquinoline
SMILESCCOc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H9ClN2O3/c1-2-17-7-3-4-9-8(5-7)11(12)10(6-13-9)14(15)16/h3-6H,2H2,1H3
InChIKeyLXTAGTFVCSNWFI-UHFFFAOYSA-N
XLogP3.20
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-3-nitroquinoline?
The IUPAC name of 4-chloro-6-ethoxy-3-nitroquinoline (CID 102614031) is 4-chloro-6-ethoxy-3-nitroquinoline.
What is the SMILES notation for 4-chloro-6-ethoxy-3-nitroquinoline?
The canonical SMILES for 4-chloro-6-ethoxy-3-nitroquinoline is CCOc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-ethoxy-3-nitroquinoline?
The InChIKey is LXTAGTFVCSNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-2-17-7-3-4-9-8(5-7)11(12)10(6-13-9)14(15)16/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-ethoxy-3-nitroquinoline?
4-chloro-6-ethoxy-3-nitroquinoline has a molecular weight of 252.66 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-3-nitroquinoline is sourced from PubChem (CID 102614031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).